allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 369393-84-0) is a chemical compound with molecular formula C24H23N3O3S2 and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, F1155-0463, PROP-2-EN-1-YL 5-CYANO-2-METHYL-6-({[(4-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(THIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-enyl 5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H23N3O3S2 |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 4.8536 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.11807 |
| Heavy Atoms | 32 |
| Complexity | 1110.3583 |
Chemical Identifiers
| CAS Number | 369393-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CS3)C#N |
Product Overview
allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 369393-84-0), with molecular formula C24H23N3O3S2 and molecular weight 465.12 g/mol. IUPAC: prop-2-enyl 5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.8536 indicates that allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 369393-84-0.
What is the molecular formula of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is C24H23N3O3S2.
What is the molecular weight of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 465.12 g/mol.
Where can I buy allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.